Home > Compound List > Compound details
1204297-14-2 molecular structure
click picture or here to close

5-(1-methyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-amine

ChemBase ID: 117644
Molecular Formular: C6H7N5O
Molecular Mass: 165.15268
Monoisotopic Mass: 165.06505987
SMILES and InChIs

SMILES:
c1(c2n(ncc2)C)oc(nn1)N
Canonical SMILES:
Cn1nccc1c1nnc(o1)N
InChI:
InChI=1S/C6H7N5O/c1-11-4(2-3-8-11)5-9-10-6(7)12-5/h2-3H,1H3,(H2,7,10)
InChIKey:
NSDYZEMIJHVYLH-UHFFFAOYSA-N

Cite this record

CBID:117644 http://www.chembase.cn/molecule-117644.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(1-methyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-amine
IUPAC Traditional name
5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine
Synonyms
5-(1-methyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-amine
CAS Number
1204297-14-2
MDL Number
MFCD16631830
PubChem SID
162102667
PubChem CID
45496637

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F2158-0854 external link Add to cart Please log in.
Data Source Data ID
PubChem 45496637 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.6574955  H Acceptors
H Donor LogD (pH = 5.5) -0.8173695 
LogD (pH = 7.4) -0.81736135  Log P -0.817359 
Molar Refractivity 65.0398 cm3 Polarizability 15.501708 Å3
Polar Surface Area 82.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.162 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle